C201-1590 Screening compound: ETHYL 2-(7,8-DIMETHYL-4-THIOXO-4,5-DIHYDRO-1H-1,5-BENZODIAZEPIN-2-YL)ACETATE

C201-1590 Screening compound: ETHYL 2-(7,8-DIMETHYL-4-THIOXO-4,5-DIHYDRO-1H-1,5-BENZODIAZEPIN-2-YL)ACETATE
C201-1590 Screening compound: ETHYL 2-(7,8-DIMETHYL-4-THIOXO-4,5-DIHYDRO-1H-1,5-BENZODIAZEPIN-2-YL)ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1590
ETHYL 2-(7,8-DIMETHYL-4-THIOXO-4,5-DIHYDRO-1H-1,5-BENZODIAZEPIN-2-YL)ACETATE

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C201-1590

Molecular Formula

C15H18N2O2S (C15 H18 N2 O2 S)

Compound Name

ETHYL 2-(7,8-DIMETHYL-4-THIOXO-4,5-DIHYDRO-1H-1,5-BENZODIAZEPIN-2-YL)ACETATE

IUPAC name

ethyl 2-(78-dimethyl-4-sulfanylidene-45-dihydro-1H-15-benzodiazepin-2-yl)acetate

SMILES

CCOC(CC(Nc(cc(C)c(C)c1)c1N1)=CC1=S)=O

InChI

InChI=1S/C15H18N2O2S/c1-4-19-15(18)8-11-7-14(20)17-13-6-10(3)9(2)5-12(13)16-11/h5-7,16H,4,8H2,1-3H3,(H,17,20)

InChI Key

PWDBJFIVFPWPBD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.292

Distribution Coefficient, logD

3.285

Water Solubility, LogSw

-3.40

Polar Surface Area

43.992

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

C201-1590 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C201-1590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1590?
Check Price and Availability of C201-1590, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C201-1590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1590
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C201-1590 available by request